2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide

C16H16Cl3N3O2 — CID 86964022

IUPAC2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1Cl
InChIInChI=1S/C16H16Cl3N3O2/c1-22(2)5-6-24-13-4-3-11(9-12(13)17)20-16(23)10-7-14(18)21-15(19)8-10/h3-4,7-9H,5-6H2,1-2H3,(H,20,23)
InChIKeyMJVFTNSQLVBKEP-UHFFFAOYSA-N
MW388.68 g/mol
LogP4.23
Rot. Bonds6

About 2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide

2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide (PubChem CID 86964022) has the molecular formula C16H16Cl3N3O2 and a molecular weight of 388.68 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide
PubChem CID86964022
Molecular FormulaC16H16Cl3N3O2
Molecular Weight388.68 g/mol
Exact Mass387.03
IUPAC Name2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1Cl
InChIInChI=1S/C16H16Cl3N3O2/c1-22(2)5-6-24-13-4-3-11(9-12(13)17)20-16(23)10-7-14(18)21-15(19)8-10/h3-4,7-9H,5-6H2,1-2H3,(H,20,23)
InChIKeyMJVFTNSQLVBKEP-UHFFFAOYSA-N
XLogP4.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.68
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 86930838
(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 166208969
4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
CID 86964008
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 62234356
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-hydroxynaphthalene-2-carboxamide
CID 166219863
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86964000
2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide
CID 119862026
(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide
CID 122081630
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide (CID 86964022) is 2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide is CN(C)CCOc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1Cl.
What is the InChIKey of 2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide?
The InChIKey is MJVFTNSQLVBKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N3O2/c1-22(2)5-6-24-13-4-3-11(9-12(13)17)20-16(23)10-7-14(18)21-15(19)8-10/h3-4,7-9H,5-6H2,1-2H3,(H,20,23).
What are the key properties of 2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide?
2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide has a molecular weight of 388.68 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 86964022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).